Sandro Scandolo
Sandro Scandolo
ICTP, Trieste, Italy
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QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials
P Giannozzi, S Baroni, N Bonini, M Calandra, R Car, C Cavazzoni, ...
Journal of physics: Condensed matter 21 (39), 395502, 2009
Synthesis of novel transition metal nitrides IrN 2 and OsN 2
AF Young, C Sanloup, E Gregoryanz, S Scandolo, RJ Hemley, H Mao
Physical review letters 96 (15), 155501, 2006
Superionic and metallic states of water and ammonia at giant planet conditions
C Cavazzoni, GL Chiarotti, S Scandolo, E Tosatti, M Bernasconi, ...
Science 283 (5398), 44-46, 1999
Nonparabolicity and a sum rule associated with bound-to-bound and bound-to-continuum intersubband transitions in quantum wells
C Sirtori, F Capasso, J Faist, S Scandolo
Physical Review B 50 (12), 8663, 1994
Physics of iron at Earth's core conditions
A Laio, S Bernard, GL Chiarotti, S Scandolo, E Tosatti
Science 287 (5455), 1027-1030, 2000
X-ray diffraction and computation yield the structure of alkanethiols on gold (111)
A Cossaro, R Mazzarello, R Rousseau, L Casalis, A Verdini, A Kohlmeyer, ...
Science 321 (5891), 943-946, 2008
An ab initio parametrized interatomic force field for silica
P Tangney, S Scandolo
The Journal of chemical physics 117 (19), 8898-8904, 2002
Metal work-function changes induced by organic adsorbates: A combined experimental and theoretical study
V De Renzi, R Rousseau, D Marchetto, R Biagi, S Scandolo, ...
Physical review letters 95 (4), 046804, 2005
Structure of a Monolayer on Au(111) Solved by the Interplay between Molecular Dynamics Calculations and Diffraction Measurements
R Mazzarello, A Cossaro, A Verdini, R Rousseau, L Casalis, ...
Physical Review Letters 98 (1), 016102, 2007
First-principles codes for computational crystallography in the Quantum-ESPRESSO package
S Scandolo, P Giannozzi, C Cavazzoni, S de Gironcoli, A Pasquarello, ...
Zeitschrift fr Kristallographie-Crystalline Materials 220 (5-6), 574-579, 2005
Pressure-induced transformation path of graphite to diamond
S Scandolo, M Bernasconi, GL Chiarotti, P Focher, E Tosatti
Physical Review Letters 74 (20), 4015, 1995
Liquid–liquid phase transition in compressed hydrogen from first-principles simulations
S Scandolo
Proceedings of the National Academy of Sciences 100 (6), 3051-3053, 2003
Dissociation of methane into hydrocarbons at extreme (planetary) pressure and temperature
F Ancilotto, GL Chiarotti, S Scandolo, E Tosatti
Science 275 (5304), 1288-1290, 1997
Amorphous silica-like carbon dioxide
M Santoro, FA Gorelli, R Bini, G Ruocco, S Scandolo, WA Crichton
Nature 441 (7095), 857-860, 2006
Carbon phase diagram from ab initio molecular dynamics
X Wang, S Scandolo, R Car
Physical review letters 95 (18), 185701, 2005
First-principle-constant pressure molecular dynamics
M Bernasconi, GL Chiarotti, P Focher, S Scandolo, E Tosatti, M Parrinello
Journal of Physics and Chemistry of Solids 56 (3-4), 501-505, 1995
Thermal conductivity of solid argon from molecular dynamics simulations
KV Tretiakov, S Scandolo
The Journal of chemical physics 120 (8), 3765-3769, 2004
Pressure-induced solid carbonates from molecular CO2 by computer simulation
S Serra, C Cavazzoni, GL Chiarotti, S Scandolo, E Tosatti
Science 284 (5415), 788-790, 1999
Interstitial dinitrogen makes an insulating hard solid
AF Young, JA Montoya, C Sanloup, M Lazzeri, E Gregoryanz, S Scandolo
Physical review B 73 (15), 153102, 2006
How well do Car–Parrinello simulations reproduce the Born–Oppenheimer surface? Theory and examples
P Tangney, S Scandolo
The Journal of chemical physics 116 (1), 14-24, 2002
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